Geometry & MOs

Info

ID:	258688
PubChem CID:	103156407
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	330.02152
ΔH_f, kcal/mol:	-123.23
Dipole, Da:	2.85
IP(EA), eV:	-8.38(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-amino-3-methoxybutanoyl)amino]-5-bromobenzoic acid

Drug info:

PubChemData

Smile

CNCC1=CC(=C(C=C1)OC)OCC(CC2CCCC2)O

DOS

IR

Vibrations